1-[4-[(2,6-difluorophenyl)methylamino]phenyl]-3-methylurea

C15H15F2N3O — CID 43744335

IUPAC1-[4-[(2,6-difluorophenyl)methylamino]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(NCc2c(F)cccc2F)cc1
InChIInChI=1S/C15H15F2N3O/c1-18-15(21)20-11-7-5-10(6-8-11)19-9-12-13(16)3-2-4-14(12)17/h2-8,19H,9H2,1H3,(H2,18,20,21)
InChIKeyGVROEPUWMLFKCP-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.33
Rot. Bonds4

About 1-[4-[(2,6-difluorophenyl)methylamino]phenyl]-3-methylurea

1-[4-[(2,6-difluorophenyl)methylamino]phenyl]-3-methylurea (PubChem CID 43744335) has the molecular formula C15H15F2N3O and a molecular weight of 291.30 g/mol. Its IUPAC name is 1-[4-[(2,6-difluorophenyl)methylamino]phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-[(2,6-difluorophenyl)methylamino]phenyl]-3-methylurea
PubChem CID43744335
Molecular FormulaC15H15F2N3O
Molecular Weight291.30 g/mol
Exact Mass291.12
IUPAC Name1-[4-[(2,6-difluorophenyl)methylamino]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(NCc2c(F)cccc2F)cc1
InChIInChI=1S/C15H15F2N3O/c1-18-15(21)20-11-7-5-10(6-8-11)19-9-12-13(16)3-2-4-14(12)17/h2-8,19H,9H2,1H3,(H2,18,20,21)
InChIKeyGVROEPUWMLFKCP-UHFFFAOYSA-N
XLogP3.33
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[4-[(2,6-difluorophenyl)methylamino]phenyl]-3-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(2-fluorophenyl)methylamino]phenyl]-3-methylurea
CID 43744437
1-[4-[(3-fluorophenyl)methylamino]phenyl]-3-methylurea
CID 43744329
1-methyl-3-[4-[(4-methylsulfanylphenyl)methylamino]phenyl]urea
CID 43744305
1-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]phenyl]-3-methylurea
CID 107694378
1-[4-(butylamino)phenyl]-3-methylurea
CID 43744434
1-[4-(3,3-dimethylbutylamino)phenyl]-3-methylurea
CID 62950033
1-methyl-3-[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744357
1-methyl-3-[4-[(1-methylpyrrol-2-yl)methylamino]phenyl]urea
CID 62131330
1-[4-(2,2-dimethylpropylamino)phenyl]-3-methylurea
CID 61324339
1-[4-[2-(tert-butylamino)ethylamino]phenyl]-3-methylurea
CID 107445245
2-[4-[(2,6-difluorophenyl)methylamino]phenoxy]acetamide
CID 43711028
2-chloro-5-[(2-chloro-6-fluorophenyl)methylamino]-N-methylbenzamide
CID 60934687

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,6-difluorophenyl)methylamino]phenyl]-3-methylurea?
The IUPAC name of 1-[4-[(2,6-difluorophenyl)methylamino]phenyl]-3-methylurea (CID 43744335) is 1-[4-[(2,6-difluorophenyl)methylamino]phenyl]-3-methylurea.
What is the SMILES notation for 1-[4-[(2,6-difluorophenyl)methylamino]phenyl]-3-methylurea?
The canonical SMILES for 1-[4-[(2,6-difluorophenyl)methylamino]phenyl]-3-methylurea is CNC(=O)Nc1ccc(NCc2c(F)cccc2F)cc1.
What is the InChIKey of 1-[4-[(2,6-difluorophenyl)methylamino]phenyl]-3-methylurea?
The InChIKey is GVROEPUWMLFKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O/c1-18-15(21)20-11-7-5-10(6-8-11)19-9-12-13(16)3-2-4-14(12)17/h2-8,19H,9H2,1H3,(H2,18,20,21).
What are the key properties of 1-[4-[(2,6-difluorophenyl)methylamino]phenyl]-3-methylurea?
1-[4-[(2,6-difluorophenyl)methylamino]phenyl]-3-methylurea has a molecular weight of 291.30 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,6-difluorophenyl)methylamino]phenyl]-3-methylurea is sourced from PubChem (CID 43744335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).